2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid

C10H18N2O6 — CID 53397461

IUPAC2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid
SMILESCC(C)(C)OC(=O)CCNC(=O)NOCC(=O)O
InChIInChI=1S/C10H18N2O6/c1-10(2,3)18-8(15)4-5-11-9(16)12-17-6-7(13)14/h4-6H2,1-3H3,(H,13,14)(H2,11,12,16)
InChIKeyUGXSHBXGOOPWDD-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.03
Rot. Bonds6

About 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid

2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid (PubChem CID 53397461) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid
PubChem CID53397461
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid
SMILESCC(C)(C)OC(=O)CCNC(=O)NOCC(=O)O
InChIInChI=1S/C10H18N2O6/c1-10(2,3)18-8(15)4-5-11-9(16)12-17-6-7(13)14/h4-6H2,1-3H3,(H,13,14)(H2,11,12,16)
InChIKeyUGXSHBXGOOPWDD-UHFFFAOYSA-N
XLogP0.03
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(ethylcarbamoylamino)oxyacetate
CID 86658798
tert-butyl 3-(carbamothioylamino)propanoate
CID 87529411
tert-butyl 3-(2,2-dimethylpropanoylamino)propanoate
CID 79005634
2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid
CID 106278948
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
tert-butyl 4-[[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707309
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
tert-butyl 3-amino-3-oxopropanoate;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 161137810
tert-butyl 3-(methoxyamino)propanoate
CID 10751000

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid?
The IUPAC name of 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid (CID 53397461) is 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid.
What is the SMILES notation for 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid?
The canonical SMILES for 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid is CC(C)(C)OC(=O)CCNC(=O)NOCC(=O)O.
What is the InChIKey of 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid?
The InChIKey is UGXSHBXGOOPWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-10(2,3)18-8(15)4-5-11-9(16)12-17-6-7(13)14/h4-6H2,1-3H3,(H,13,14)(H2,11,12,16).
What are the key properties of 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid?
2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid is sourced from PubChem (CID 53397461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).